2-(N-benzylanilino)-N-(2-bromophenyl)acetamide

C21H19BrN2O — CID 109010688

IUPAC2-(N-benzylanilino)-N-(2-bromophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C21H19BrN2O/c22-19-13-7-8-14-20(19)23-21(25)16-24(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,23,25)
InChIKeyDREBQZRCGGZXAB-UHFFFAOYSA-N
MW395.30 g/mol
LogP5.09
Rot. Bonds6

About 2-(N-benzylanilino)-N-(2-bromophenyl)acetamide

2-(N-benzylanilino)-N-(2-bromophenyl)acetamide (PubChem CID 109010688) has the molecular formula C21H19BrN2O and a molecular weight of 395.30 g/mol. Its IUPAC name is 2-(N-benzylanilino)-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(N-benzylanilino)-N-(2-bromophenyl)acetamide
PubChem CID109010688
Molecular FormulaC21H19BrN2O
Molecular Weight395.30 g/mol
Exact Mass394.07
IUPAC Name2-(N-benzylanilino)-N-(2-bromophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C21H19BrN2O/c22-19-13-7-8-14-20(19)23-21(25)16-24(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,23,25)
InChIKeyDREBQZRCGGZXAB-UHFFFAOYSA-N
XLogP5.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.30
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110877208
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide
CID 120872242
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 32514051
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
3-[[2-(2-bromoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62827479

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(N-benzylanilino)-N-(2-bromophenyl)acetamide (CID 109010688) is 2-(N-benzylanilino)-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(N-benzylanilino)-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(N-benzylanilino)-N-(2-bromophenyl)acetamide is O=C(CN(Cc1ccccc1)c1ccccc1)Nc1ccccc1Br.
What is the InChIKey of 2-(N-benzylanilino)-N-(2-bromophenyl)acetamide?
The InChIKey is DREBQZRCGGZXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O/c22-19-13-7-8-14-20(19)23-21(25)16-24(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,23,25).
What are the key properties of 2-(N-benzylanilino)-N-(2-bromophenyl)acetamide?
2-(N-benzylanilino)-N-(2-bromophenyl)acetamide has a molecular weight of 395.30 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 109010688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).